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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

19917867
19917867
19917869
19917869

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine 4-ethyl-N-[(1S)-1-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 7.8 -43.19 2 2 1 29 233.379 4 ↓

Analogs

19917867
19917867
19917869
19917869

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-N-[(1R)-1-(4-pyridyl)ethyl]cyclohexan-1-amine 4-ethyl-N-[(1R)-1-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 7.79 -43.36 2 2 1 29 233.379 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (1R,3R)-3-methyl-N-[(1S)-1-(4-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 7 -43.03 2 2 1 29 219.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (1R,3S)-3-methyl-N-[(1S)-1-(4-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 7.15 -43.05 2 2 1 29 219.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (1S,3R)-3-methyl-N-[(1S)-1-(4-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 7.22 -43.19 2 2 1 29 219.352 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (1S,3S)-3-methyl-N-[(1S)-1-(4-py…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.68 6.99 -43.03 2 2 1 29 219.352 3 ↓

Analogs

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Popular Name: (2R,6R)-2,6-dimethyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (2R,6R)-2,6-dimethyl-N-[(1S)-1-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 7.7 -38.99 2 2 1 29 233.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,6S)-2,6-dimethyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (2R,6S)-2,6-dimethyl-N-[(1S)-1-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 8.12 -37.53 2 2 1 29 233.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,6S)-2,6-dimethyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (2S,6S)-2,6-dimethyl-N-[(1S)-1-(…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 7.76 -39.42 2 2 1 29 233.379 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5S)-3,3,5-trimethyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (1R,5S)-3,3,5-trimethyl-N-[(1S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 8.03 -44.32 2 2 1 29 247.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,5R)-3,3,5-trimethyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (1R,5R)-3,3,5-trimethyl-N-[(1S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 8.11 -44.35 2 2 1 29 247.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5S)-3,3,5-trimethyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (1S,5S)-3,3,5-trimethyl-N-[(1S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 8.1 -44.37 2 2 1 29 247.406 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,5R)-3,3,5-trimethyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine (1S,5R)-3,3,5-trimethyl-N-[(1S)-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.33 8.02 -44.26 2 2 1 29 247.406 3 ↓

Analogs

19917867
19917867
19917869
19917869

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexan-1-amine 4-propyl-N-[(1S)-1-(4-pyridyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 9 -41.77 2 2 1 29 247.406 5 ↓

Analogs

19917867
19917867
19917869
19917869

Draw Identity 99% 90% 80% 70%

Popular Name: 4-propyl-N-[(1R)-1-(4-pyridyl)ethyl]cyclohexan-1-amine 4-propyl-N-[(1R)-1-(4-pyridyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.69 8.99 -41.7 2 2 1 29 247.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5R)-2-isopropyl-5-methyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexanamine (1R,2R,5R)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 8.96 -35.96 2 2 1 29 261.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5S)-2-isopropyl-5-methyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexanamine (1R,2R,5S)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 8.85 -37.86 2 2 1 29 261.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,5R)-2-isopropyl-5-methyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexanamine (1R,2S,5R)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 8.69 -41.04 2 2 1 29 261.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,5S)-2-isopropyl-5-methyl-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexanamine (1R,2S,5S)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.42 8.48 -40.78 2 2 1 29 261.433 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5R)-2-isopropyl-5-methyl-N-(4-pyridylmethyl)cyclohexanamine (1R,2R,5R)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 8.13 -38.66 2 2 1 29 247.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R,5S)-2-isopropyl-5-methyl-N-(4-pyridylmethyl)cyclohexanamine (1R,2R,5S)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 8.45 -42.24 2 2 1 29 247.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,5R)-2-isopropyl-5-methyl-N-(4-pyridylmethyl)cyclohexanamine (1R,2S,5R)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 8.14 -43.81 2 2 1 29 247.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S,5S)-2-isopropyl-5-methyl-N-(4-pyridylmethyl)cyclohexanamine (1R,2S,5S)-2-isopropyl-5-methyl-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.86 7.93 -43.46 2 2 1 29 247.406 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-pyridyl)ethyl]-4-(trifluoromethyl)cyclohexanamine N-[(1S)-1-(4-pyridyl)ethyl]-4-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 7.57 -43.85 2 2 1 29 273.322 4 ↓
Hi High (pH 8-9.5) 2.99 6.93 -4.5 1 2 0 25 272.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-pyridyl)ethyl]-4-(trifluoromethyl)cyclohexanamine N-[(1R)-1-(4-pyridyl)ethyl]-4-(t…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.99 7.36 -49.07 2 2 1 29 273.322 4 ↓
Hi High (pH 8-9.5) 2.99 6.53 -4.99 1 2 0 25 272.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1S)-1-(4-pyridyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-[(1S)-1-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.65 -38.89 2 2 1 29 273.322 4 ↓
Hi High (pH 8-9.5) 3.46 6.92 -4.04 1 2 0 25 272.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[(1R)-1-(4-pyridyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1R,2S)-N-[(1R)-1-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.81 -37.95 2 2 1 29 273.322 4 ↓
Hi High (pH 8-9.5) 3.46 7.14 -4.11 1 2 0 25 272.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1S)-1-(4-pyridyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-[(1S)-1-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.57 -39.68 2 2 1 29 273.322 4 ↓
Hi High (pH 8-9.5) 3.46 7.14 -4.33 1 2 0 25 272.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[(1R)-1-(4-pyridyl)ethyl]-2-(trifluoromethyl)cyclohexanamine (1S,2S)-N-[(1R)-1-(4-pyridyl)eth…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.46 7.45 -40.4 2 2 1 29 273.322 4 ↓
Hi High (pH 8-9.5) 3.46 7.06 -5.65 1 2 0 25 272.314 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-pyridylmethylamino)cyclohexanecarbonitrile (1S,2R)-2-(4-pyridylmethylamino)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 4.8 -10.98 1 3 0 49 215.3 3 ↓
Mid Mid (pH 6-8) 1.76 5.89 -54.93 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-pyridylmethylamino)cyclohexanecarbonitrile (1S,2S)-2-(4-pyridylmethylamino)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 5.08 -8.64 1 3 0 49 215.3 3 ↓
Mid Mid (pH 6-8) 1.76 6.11 -49.92 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-pyridylmethylamino)cyclohexanecarbonitrile (1R,2R)-2-(4-pyridylmethylamino)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 4.9 -6.77 1 3 0 49 215.3 3 ↓
Mid Mid (pH 6-8) 1.76 6.11 -49.91 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(4-pyridylmethylamino)cyclohexanecarbonitrile (1R,2S)-2-(4-pyridylmethylamino)…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 4.77 -9.57 1 3 0 49 215.3 3 ↓
Mid Mid (pH 6-8) 1.76 5.89 -54.94 2 3 1 53 216.308 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1S)-1-(4-pyridyl)ethyl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(1S)-1-(4-pyridyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 5.57 -8.34 1 3 0 49 229.327 3 ↓
Mid Mid (pH 6-8) 2.32 6.44 -46.67 2 3 1 53 230.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(1R)-1-(4-pyridyl)ethyl]amino]cyclohexanecarbonitrile (1S,2R)-2-[[(1R)-1-(4-pyridyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 5.67 -11.29 1 3 0 49 229.327 3 ↓
Mid Mid (pH 6-8) 2.32 6.48 -51.47 2 3 1 53 230.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1S)-1-(4-pyridyl)ethyl]amino]cyclohexanecarbonitrile (1S,2S)-2-[[(1S)-1-(4-pyridyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 5.93 -7.65 1 3 0 49 229.327 3 ↓
Mid Mid (pH 6-8) 2.32 6.71 -46.23 2 3 1 53 230.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(1R)-1-(4-pyridyl)ethyl]amino]cyclohexanecarbonitrile (1S,2S)-2-[[(1R)-1-(4-pyridyl)et…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.32 5.99 -9.14 1 3 0 49 229.327 3 ↓
Mid Mid (pH 6-8) 2.32 6.66 -46.85 2 3 1 53 230.335 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3R)-3-methoxy-N-(4-pyridylmethyl)cyclohexanamine (1S,3R)-3-methoxy-N-(4-pyridylme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 4.88 -46.41 2 3 1 39 221.324 4 ↓
Hi High (pH 8-9.5) 1.34 3.68 -4.76 1 3 0 34 220.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methoxy-N-(4-pyridylmethyl)cyclohexanamine (1S,3S)-3-methoxy-N-(4-pyridylme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 5.03 -42.89 2 3 1 39 221.324 4 ↓
Hi High (pH 8-9.5) 1.34 3.82 -4.05 1 3 0 34 220.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3R)-3-methoxy-N-(4-pyridylmethyl)cyclohexanamine (1R,3R)-3-methoxy-N-(4-pyridylme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 5.03 -42.9 2 3 1 39 221.324 4 ↓
Hi High (pH 8-9.5) 1.34 3.83 -4.17 1 3 0 34 220.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methoxy-N-(4-pyridylmethyl)cyclohexanamine (1R,3S)-3-methoxy-N-(4-pyridylme…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 4.87 -46.38 2 3 1 39 221.324 4 ↓
Hi High (pH 8-9.5) 1.34 3.7 -4.93 1 3 0 34 220.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(1S,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]pyridine-2-carbonitrile 4-[[[(1S,2R,4R)-2,4-dimethylcycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 7.67 -52.55 2 3 1 53 244.362 3 ↓
Hi High (pH 8-9.5) 2.57 6.83 -6.56 1 3 0 49 243.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(1S,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]pyridine-2-carbonitrile 4-[[[(1S,2R,4S)-2,4-dimethylcycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 7.25 -54.7 2 3 1 53 244.362 3 ↓
Hi High (pH 8-9.5) 2.57 6.21 -6.54 1 3 0 49 243.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(1R,2R,4R)-2,4-dimethylcyclohexyl]amino]methyl]pyridine-2-carbonitrile 4-[[[(1R,2R,4R)-2,4-dimethylcycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 7.45 -53.84 2 3 1 53 244.362 3 ↓
Hi High (pH 8-9.5) 2.57 6.47 -6.56 1 3 0 49 243.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[[(1R,2R,4S)-2,4-dimethylcyclohexyl]amino]methyl]pyridine-2-carbonitrile 4-[[[(1R,2R,4S)-2,4-dimethylcycl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.57 7.23 -54.03 2 3 1 53 244.362 3 ↓
Hi High (pH 8-9.5) 2.57 6.25 -6.57 1 3 0 49 243.354 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methoxy-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexanamine (1R,3S)-3-methoxy-N-[(1S)-1-(4-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 5.43 -43.15 2 3 1 39 235.351 4 ↓
Hi High (pH 8-9.5) 1.90 4.44 -4.23 1 3 0 34 234.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methoxy-N-[(1R)-1-(4-pyridyl)ethyl]cyclohexanamine (1R,3S)-3-methoxy-N-[(1R)-1-(4-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 5.48 -43.61 2 3 1 39 235.351 4 ↓
Hi High (pH 8-9.5) 1.90 4.53 -4.81 1 3 0 34 234.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methoxy-N-[(1S)-1-(4-pyridyl)ethyl]cyclohexanamine (1S,3S)-3-methoxy-N-[(1S)-1-(4-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 5.62 -40.65 2 3 1 39 235.351 4 ↓
Hi High (pH 8-9.5) 1.90 4.69 -3.63 1 3 0 34 234.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,3S)-3-methoxy-N-[(1R)-1-(4-pyridyl)ethyl]cyclohexanamine (1S,3S)-3-methoxy-N-[(1R)-1-(4-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.90 5.6 -42.34 2 3 1 39 235.351 4 ↓
Hi High (pH 8-9.5) 1.90 4.76 -4.81 1 3 0 34 234.343 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,3S)-3-methoxy-N-[(2-methoxy-4-pyridyl)methyl]cyclohexanamine (1R,3S)-3-methoxy-N-[(2-methoxy-…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 3.36 -47.12 2 4 1 48 251.35 5 ↓
Hi High (pH 8-9.5) 1.74 2.15 -5.48 1 4 0 43 250.342 5 ↓

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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